#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugk s SER 2 N 0.00 -0.37 -0.30 1.61 0.15 -1.26 -5.17 113.70 108.36 1ugk s SER 2 Ca 0.00 0.68 -0.21 0.00 0.70 0.00 0.00 55.95 57.13 1ugk s SER 2 Cb 0.00 0.80 0.19 0.00 -1.71 0.00 0.00 66.02 65.30 1ugk s SER 2 CO 0.00 -0.12 1.31 -0.44 1.20 0.00 0.00 173.24 175.19 1ugk s SER 3 N 0.43 -0.12 0.78 5.45 0.01 -1.26 -4.95 113.70 114.03 1ugk s SER 3 Ca 0.01 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.49 1ugk s SER 3 Cb -0.05 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.79 1ugk s SER 3 CO -0.10 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1ugk n GLY 4 N 2.37 0.90 0.00 3.44 0.00 -1.26 -4.97 105.19 105.67 1ugk n GLY 4 Ca -0.14 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1ugk n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ugk n SER 5 N -3.22 0.00 -3.83 1.61 2.88 -1.26 -5.06 113.62 104.74 1ugk n SER 5 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1ugk n SER 5 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1ugk n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ugk s SER 6 N 0.00 4.03 0.12 -3.46 0.01 -1.26 -5.00 113.70 108.13 1ugk s SER 6 Ca 0.00 -2.97 0.00 0.00 1.31 0.00 0.00 55.95 54.29 1ugk s SER 6 Cb 0.00 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 64.86 1ugk s SER 6 CO 0.00 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1ugk n GLY 7 N 3.13 -4.16 0.00 3.44 0.00 -1.26 -4.91 105.19 101.43 1ugk n GLY 7 Ca 0.09 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1ugk n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ugk n LEU 8 N 0.29 0.00 0.00 0.99 7.99 -0.85 -5.00 117.00 120.42 1ugk n LEU 8 Ca 0.00 0.69 0.00 0.00 -0.01 0.00 0.00 56.01 56.69 1ugk n LEU 8 Cb 0.00 -0.19 0.00 0.00 -0.11 0.00 0.00 43.42 43.12 1ugk n LEU 8 CO 0.00 -0.19 0.00 0.61 -1.51 0.00 0.00 177.39 176.30 1ugk n GLY 9 N -0.81 1.04 3.67 -0.72 0.00 -1.12 -4.38 105.19 102.87 1ugk n GLY 9 Ca 0.00 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 1ugk n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ugk s THR 10 N -2.28 2.91 -0.05 2.61 2.01 -0.16 0.17 115.64 120.85 1ugk s THR 10 Ca 0.00 -1.86 -0.00 0.00 0.31 0.00 0.00 61.69 60.13 1ugk s THR 10 Cb 0.00 -2.87 0.03 0.00 0.01 0.00 0.00 72.50 69.67 1ugk s THR 10 CO 0.00 -0.22 0.01 -0.22 -0.69 0.00 0.00 174.62 173.49 1ugk s LEU 11 N -3.76 0.84 -0.10 4.42 1.98 0.15 -2.91 118.68 119.31 1ugk s LEU 11 Ca 0.35 -0.04 -0.03 0.00 -2.89 0.00 0.00 54.13 51.53 1ugk s LEU 11 Cb -0.02 -0.30 -0.03 0.00 0.66 0.00 0.00 46.19 46.49 1ugk s LEU 11 CO 0.21 -0.15 0.02 -0.36 -1.89 0.00 0.00 176.35 174.18 1ugk s PHE 12 N 1.49 3.22 0.05 5.38 0.08 -0.82 -0.45 117.98 126.93 1ugk s PHE 12 Ca -0.03 0.22 -0.27 0.00 0.12 0.00 0.00 56.93 56.97 1ugk s PHE 12 Cb -0.13 -1.83 0.09 0.00 -0.57 0.00 0.00 43.02 40.58 1ugk s PHE 12 CO -0.03 0.47 0.89 -0.59 -0.10 0.00 0.00 175.22 175.86 1ugk s PHE 13 N -0.80 -0.30 0.05 0.36 -0.71 0.17 -2.12 117.98 114.63 1ugk s PHE 13 Ca 0.12 0.11 0.02 0.00 -1.04 0.00 0.00 56.93 56.14 1ugk s PHE 13 Cb -0.12 0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 42.24 1ugk s PHE 13 CO 0.02 -0.65 -0.07 -1.54 -1.34 0.00 0.00 175.22 171.64 1ugk s SER 14 N -2.63 0.80 0.15 1.98 1.04 -0.89 0.54 113.70 114.69 1ugk s SER 14 Ca 0.07 -0.60 0.08 0.00 0.48 0.00 0.00 55.95 55.98 1ugk s SER 14 Cb -0.01 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 1ugk s SER 14 CO -0.06 -0.25 -0.07 -0.76 0.98 0.00 0.00 173.24 173.08 1ugk s LEU 15 N -1.74 3.10 -0.29 2.42 1.43 -0.70 -1.65 118.68 121.24 1ugk s LEU 15 Ca -0.08 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.42 1ugk s LEU 15 Cb -0.08 -1.81 0.13 0.00 0.03 0.00 0.00 46.19 44.45 1ugk s LEU 15 CO -0.00 0.13 0.80 -0.70 0.23 0.00 0.00 176.35 176.80 1ugk s GLU 16 N -2.64 0.52 -0.03 1.70 2.12 -0.41 -2.04 118.70 117.92 1ugk s GLU 16 Ca 0.24 1.07 -0.05 0.00 0.36 0.00 0.00 54.97 56.60 1ugk s GLU 16 Cb -0.10 0.40 -0.04 0.00 0.26 0.00 0.00 34.13 34.65 1ugk s GLU 16 CO 0.16 -0.14 0.20 -0.47 -0.54 0.00 0.00 175.26 174.47 1ugk s TYR 17 N 2.10 3.57 -1.13 5.30 5.04 -1.26 0.10 117.35 131.08 1ugk s TYR 17 Ca -0.07 0.47 -0.02 0.00 -2.44 0.00 0.00 57.07 55.00 1ugk s TYR 17 Cb -0.07 -1.91 0.25 0.00 0.35 0.00 0.00 41.96 40.59 1ugk s TYR 17 CO -0.18 0.66 2.01 -1.71 -1.34 0.00 0.00 175.55 174.99 1ugk n ASN 18 N 1.22 7.59 -0.28 4.32 2.85 0.50 -4.81 115.26 126.65 1ugk n ASN 18 Ca -0.13 -3.51 0.08 0.00 -0.11 0.00 0.00 54.58 50.91 1ugk n ASN 18 Cb 0.53 -1.23 0.17 0.00 1.24 0.00 0.00 39.78 40.48 1ugk n ASN 18 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1ugk n PHE 19 N 0.52 0.38 -0.27 1.20 3.01 -1.26 0.21 117.46 121.25 1ugk n PHE 19 Ca 0.52 0.96 -0.03 0.00 1.01 0.00 0.00 57.45 59.91 1ugk n PHE 19 Cb 0.26 -1.02 0.03 0.00 -0.01 0.00 0.00 39.48 38.74 1ugk n PHE 19 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1ugk h GLU 20 N 0.00 -0.08 -0.37 -1.08 4.57 -1.95 0.12 114.58 115.79 1ugk h GLU 20 Ca 0.42 0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.50 1ugk h GLU 20 Cb 0.76 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.31 1ugk h GLU 20 CO -0.78 -0.06 0.03 0.54 -1.18 0.00 0.00 179.01 177.56 1ugk n ARG 21 N -5.46 2.57 -3.66 1.92 1.74 0.31 -4.98 116.66 109.10 1ugk n ARG 21 Ca 0.07 -3.00 -0.24 0.00 -0.77 0.00 0.00 57.85 53.91 1ugk n ARG 21 Cb 0.38 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 1ugk n ARG 21 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ugk n LYS 22 N -0.73 -1.06 -4.32 5.56 5.02 0.55 -4.74 118.16 118.44 1ugk n LYS 22 Ca 0.29 0.46 -0.16 0.00 -2.02 0.00 0.00 58.31 56.88 1ugk n LYS 22 Cb 1.02 -1.79 -0.10 0.00 -0.02 0.00 0.00 35.03 34.14 1ugk n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ugk s ALA 23 N -3.02 1.74 -0.11 7.82 0.00 -0.86 -4.10 121.76 123.23 1ugk s ALA 23 Ca 0.09 -1.75 0.01 0.00 0.00 0.00 0.00 51.96 50.31 1ugk s ALA 23 Cb -0.05 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 1ugk s ALA 23 CO 0.74 -0.28 -0.15 0.12 0.00 0.00 0.00 175.76 176.19 1ugk s PHE 24 N -3.48 2.74 -0.29 0.00 5.36 -0.74 0.19 117.98 121.76 1ugk s PHE 24 Ca 0.28 -0.61 0.03 0.00 -0.96 0.00 0.00 56.93 55.67 1ugk s PHE 24 Cb 0.06 -1.77 0.07 0.00 -0.34 0.00 0.00 43.02 41.04 1ugk s PHE 24 CO 0.08 -0.17 -0.04 0.08 -1.46 0.00 0.00 175.22 173.71 1ugk s VAL 25 N 0.12 2.31 -0.70 3.12 1.01 0.29 -1.37 120.40 125.19 1ugk s VAL 25 Ca -0.08 -1.83 -0.13 0.00 0.00 0.00 0.00 61.98 59.94 1ugk s VAL 25 Cb -0.15 -2.47 0.18 0.00 0.00 0.00 0.00 36.38 33.94 1ugk s VAL 25 CO 0.05 -0.22 0.63 -0.69 0.00 0.00 0.00 175.10 174.87 1ugk s VAL 26 N 1.06 5.24 -0.01 2.92 1.01 -0.97 -1.29 120.40 128.35 1ugk s VAL 26 Ca -0.02 -2.18 -0.28 0.00 0.00 0.00 0.00 61.98 59.49 1ugk s VAL 26 Cb -0.20 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 1ugk s VAL 26 CO -0.05 -0.95 0.91 0.21 0.00 0.00 0.00 175.10 175.21 1ugk s ASN 27 N 2.49 7.28 -0.47 3.32 3.84 -0.66 -2.89 114.94 127.85 1ugk s ASN 27 Ca 0.13 1.54 -0.06 0.00 0.21 0.00 0.00 52.86 54.68 1ugk s ASN 27 Cb -0.18 -2.53 0.12 0.00 -0.55 0.00 0.00 41.25 38.11 1ugk s ASN 27 CO -0.04 -0.22 0.31 -0.63 -2.79 0.00 0.00 177.10 173.72 1ugk s ILE 28 N 0.93 3.80 0.00 -5.21 1.01 0.94 -2.09 121.20 120.58 1ugk s ILE 28 Ca 0.48 -2.05 0.00 0.00 0.00 0.00 0.00 60.65 59.09 1ugk s ILE 28 Cb -0.20 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.73 1ugk s ILE 28 CO 0.26 -0.76 0.00 1.17 0.00 0.00 0.00 174.94 175.61 1ugk n LYS 29 N 4.60 2.94 -4.11 2.79 3.00 -0.90 0.30 118.16 126.78 1ugk n LYS 29 Ca -0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.03 1ugk n LYS 29 Cb 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.37 1ugk n LYS 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1ugk s GLU 30 N 0.00 2.24 -0.00 1.64 -1.05 -1.24 -1.62 118.70 118.67 1ugk s GLU 30 Ca 0.00 -1.82 0.07 0.00 -0.15 0.00 0.00 54.97 53.07 1ugk s GLU 30 Cb 0.00 -2.00 -0.02 0.00 -0.44 0.00 0.00 34.13 31.67 1ugk s GLU 30 CO 0.00 -0.11 -0.22 0.00 0.95 0.00 0.00 175.26 175.88 1ugk s ALA 31 N -2.59 1.87 0.00 -0.84 0.00 -0.28 -1.94 121.76 117.99 1ugk s ALA 31 Ca 0.41 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.41 1ugk s ALA 31 Cb 0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1ugk s ALA 31 CO 0.23 0.45 -0.12 1.03 0.00 0.00 0.00 175.76 177.35 1ugk s ARG 32 N -0.69 0.94 0.00 0.00 1.81 -1.15 -3.23 118.95 116.64 1ugk s ARG 32 Ca 0.09 -0.51 0.00 0.00 -1.72 0.00 0.00 55.73 53.59 1ugk s ARG 32 Cb -0.09 -0.92 0.00 0.00 -0.45 0.00 0.00 34.95 33.50 1ugk s ARG 32 CO -0.00 0.24 0.00 0.41 -0.68 0.00 0.00 175.30 175.27 1ugk n GLY 33 N 2.54 0.71 3.63 -3.53 0.00 -1.26 -0.99 105.19 106.29 1ugk n GLY 33 Ca -0.15 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 1ugk n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugk s LEU 34 N -0.67 4.07 0.12 0.99 1.43 -1.09 -2.81 118.68 120.72 1ugk s LEU 34 Ca 0.00 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.99 1ugk s LEU 34 Cb 0.00 -2.27 -0.06 0.00 0.03 0.00 0.00 46.19 43.89 1ugk s LEU 34 CO 0.00 -0.06 1.14 -2.16 0.23 0.00 0.00 176.35 175.50 1ugk s PRO 35 N 1.59 4.51 0.71 1.29 0.04 -1.26 -4.79 135.00 137.08 1ugk s PRO 35 Ca 0.11 1.73 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 1ugk s PRO 35 Cb -0.15 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 31.10 1ugk s PRO 35 CO 0.08 -0.09 1.27 0.00 0.04 0.00 0.00 177.00 178.30 1ugk s ALA 36 N 0.41 2.18 -0.13 8.56 0.00 -1.26 -4.87 121.76 126.65 1ugk s ALA 36 Ca 0.54 1.10 0.07 0.00 0.00 0.00 0.00 51.96 53.67 1ugk s ALA 36 Cb -0.29 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.19 1ugk s ALA 36 CO 0.32 -1.87 0.21 -1.33 0.00 0.00 0.00 175.76 173.10 1ugk n MET 37 N -2.41 1.92 -4.48 0.00 2.81 -1.26 -4.67 117.12 109.03 1ugk n MET 37 Ca 0.15 -0.04 -0.23 0.00 -1.81 0.00 0.00 57.70 55.77 1ugk n MET 37 Cb 0.49 -1.04 -0.10 0.00 -0.71 0.00 0.00 33.22 31.85 1ugk n MET 37 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1ugk s ASP 38 N -2.39 3.20 0.00 7.83 2.15 -1.26 -5.04 116.67 121.17 1ugk s ASP 38 Ca -0.01 -1.18 0.19 0.00 0.43 0.00 0.00 52.55 51.99 1ugk s ASP 38 Cb 0.05 -0.25 -0.03 0.00 -0.30 0.00 0.00 42.92 42.39 1ugk s ASP 38 CO 0.30 -0.26 0.95 -1.84 -0.17 0.00 0.00 175.17 174.15 1ugk n GLU 39 N -0.67 1.39 0.00 4.34 0.28 -1.26 -4.36 120.64 120.36 1ugk n GLU 39 Ca -0.05 -0.80 0.00 0.00 -0.16 0.00 0.00 57.16 56.15 1ugk n GLU 39 Cb 0.63 -1.38 0.00 0.00 1.43 0.00 0.00 31.44 32.12 1ugk n GLU 39 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1ugk n GLN 40 N -0.24 0.00 -2.59 3.44 1.13 -1.26 -3.90 117.38 113.97 1ugk n GLN 40 Ca 0.07 0.32 -0.16 0.00 -1.94 0.00 0.00 57.00 55.29 1ugk n GLN 40 Cb 0.39 -0.74 0.02 0.00 0.11 0.00 0.00 30.24 30.02 1ugk n GLN 40 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1ugk n SER 41 N -0.69 2.73 -4.30 1.08 7.64 -1.26 -4.96 113.62 113.85 1ugk n SER 41 Ca 0.00 -3.10 -0.32 0.00 1.01 0.00 0.00 58.87 56.46 1ugk n SER 41 Cb 0.00 -0.50 -0.09 0.00 -1.01 0.00 0.00 64.21 62.60 1ugk n SER 41 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1ugk n MET 42 N -0.23 -0.90 -4.02 1.43 1.56 -1.25 -4.90 117.12 108.81 1ugk n MET 42 Ca 0.21 0.09 -0.10 0.00 -0.27 0.00 0.00 57.70 57.62 1ugk n MET 42 Cb 0.76 -3.51 -0.05 0.00 2.15 0.00 0.00 33.22 32.57 1ugk n MET 42 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1ugk s THR 43 N -4.34 0.00 0.23 1.12 -1.32 -1.26 -4.91 115.64 105.16 1ugk s THR 43 Ca 0.03 -1.46 -0.21 0.00 -1.21 0.00 0.00 61.69 58.83 1ugk s THR 43 Cb -0.01 -2.32 0.06 0.00 -1.51 0.00 0.00 72.50 68.72 1ugk s THR 43 CO 1.00 0.00 0.92 -0.94 -2.21 0.00 0.00 174.62 173.39 1ugk s SER 44 N -3.06 -0.07 -0.63 8.08 1.04 -1.26 -4.18 113.70 113.62 1ugk s SER 44 Ca 0.24 -0.70 0.06 0.00 0.48 0.00 0.00 55.95 56.03 1ugk s SER 44 Cb -0.00 0.60 0.23 0.00 0.10 0.00 0.00 66.02 66.95 1ugk s SER 44 CO 0.11 -1.17 0.65 0.47 0.98 0.00 0.00 173.24 174.28 1ugk n ASP 45 N -0.97 3.14 -4.81 7.02 8.00 -1.15 -1.76 116.55 126.02 1ugk n ASP 45 Ca -0.05 -3.29 -0.30 0.00 0.71 0.00 0.00 54.79 51.85 1ugk n ASP 45 Cb 0.60 -0.69 0.07 0.00 -0.02 0.00 0.00 41.12 41.09 1ugk n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1ugk s PRO 46 N -2.03 2.43 -0.20 -0.24 0.04 -1.26 -1.27 135.00 132.47 1ugk s PRO 46 Ca 0.35 0.77 -0.25 0.00 0.04 0.00 0.00 61.00 61.91 1ugk s PRO 46 Cb 0.10 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.76 1ugk s PRO 46 CO -0.07 -1.41 0.67 1.52 0.04 0.00 0.00 177.00 177.76 1ugk s TYR 47 N -3.11 -0.71 0.33 0.56 1.13 -1.19 -3.54 117.35 110.82 1ugk s TYR 47 Ca 0.60 1.61 -0.02 0.00 -1.41 0.00 0.00 57.07 57.85 1ugk s TYR 47 Cb -0.14 0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 40.97 1ugk s TYR 47 CO 0.55 -0.42 0.56 0.42 -2.51 0.00 0.00 175.55 174.14 1ugk s ILE 48 N -0.07 5.06 -0.08 -3.49 1.01 -1.26 -0.49 121.20 121.89 1ugk s ILE 48 Ca -0.03 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.43 1ugk s ILE 48 Cb -0.04 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.64 1ugk s ILE 48 CO 0.03 -0.47 -0.11 -0.54 0.00 0.00 0.00 174.94 173.85 1ugk s LYS 49 N -4.01 1.66 0.06 2.79 1.02 -0.48 -1.17 119.74 119.61 1ugk s LYS 49 Ca 0.42 -0.37 -0.00 0.00 0.02 0.00 0.00 55.97 56.03 1ugk s LYS 49 Cb -0.10 -1.46 -0.04 0.00 -0.52 0.00 0.00 37.83 35.71 1ugk s LYS 49 CO 0.34 -0.05 0.22 1.41 -0.92 0.00 0.00 175.35 176.34 1ugk s MET 50 N 0.94 3.45 -0.21 1.68 1.75 0.45 -2.05 119.30 125.30 1ugk s MET 50 Ca -0.09 -0.42 -0.15 0.00 -1.25 0.00 0.00 55.69 53.78 1ugk s MET 50 Cb -0.15 -3.04 0.06 0.00 2.84 0.00 0.00 34.83 34.55 1ugk s MET 50 CO 0.00 0.61 0.54 0.99 -0.65 0.00 0.00 175.02 176.51 1ugk s THR 51 N -1.50 -0.01 -0.79 10.11 2.01 -1.21 -1.62 115.64 122.63 1ugk s THR 51 Ca 0.35 0.03 -0.19 0.00 0.31 0.00 0.00 61.69 62.18 1ugk s THR 51 Cb -0.13 -0.77 0.12 0.00 0.01 0.00 0.00 72.50 71.73 1ugk s THR 51 CO 0.27 0.01 0.96 -0.63 -0.69 0.00 0.00 174.62 174.54 1ugk s ILE 52 N 0.92 4.77 0.43 1.82 1.01 -1.12 -2.09 121.20 126.95 1ugk s ILE 52 Ca -0.05 -1.31 -0.08 0.00 0.00 0.00 0.00 60.65 59.21 1ugk s ILE 52 Cb -0.05 -4.66 -0.05 0.00 0.01 0.00 0.00 42.46 37.70 1ugk s ILE 52 CO -0.08 -1.36 0.76 -0.76 0.00 0.00 0.00 174.94 173.50 1ugk s LEU 53 N 2.66 3.76 0.35 2.97 2.01 0.58 0.19 118.68 131.20 1ugk s LEU 53 Ca 0.24 1.01 0.18 0.00 0.01 0.00 0.00 54.13 55.58 1ugk s LEU 53 Cb -0.12 -3.92 0.49 0.00 0.01 0.00 0.00 46.19 42.64 1ugk s LEU 53 CO -0.02 -0.46 1.64 1.55 1.01 0.00 0.00 176.35 180.07 1ugk h PRO 54 N 0.86 0.00 -0.03 1.29 0.13 -1.84 0.50 132.00 132.91 1ugk h PRO 54 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ugk h PRO 54 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ugk h PRO 54 CO 0.63 0.40 -0.02 0.39 -0.23 0.00 0.00 178.00 179.17 1ugk n GLU 55 N -3.39 -0.01 -0.93 0.86 1.02 -1.04 -4.65 120.64 112.51 1ugk n GLU 55 Ca 0.01 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1ugk n GLU 55 Cb 0.58 -0.17 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 1ugk n GLU 55 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ugk n LYS 56 N -2.77 -0.53 0.08 3.49 4.81 0.49 -4.87 118.16 118.86 1ugk n LYS 56 Ca 0.00 0.13 -0.04 0.00 -0.87 0.00 0.00 58.31 57.53 1ugk n LYS 56 Cb 0.01 -3.64 -0.02 0.00 0.02 0.00 0.00 35.03 31.40 1ugk n LYS 56 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1ugk h LYS 57 N 1.01 -0.26 -5.85 1.64 1.63 -1.83 -3.41 116.57 109.50 1ugk h LYS 57 Ca 0.00 0.02 -0.42 0.00 -0.85 0.00 0.00 60.65 59.39 1ugk h LYS 57 Cb 0.26 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.92 1ugk h LYS 57 CO 0.00 -0.18 1.18 -1.01 -3.45 0.00 0.00 179.45 175.99 1ugk s HIS 58 N -2.45 1.61 -0.21 1.91 3.76 -1.26 -4.93 115.29 113.72 1ugk s HIS 58 Ca -0.04 0.88 -0.05 0.00 -0.15 0.00 0.00 55.06 55.70 1ugk s HIS 58 Cb 0.00 -4.00 -0.02 0.00 1.11 0.00 0.00 32.58 29.68 1ugk s HIS 58 CO 0.12 -2.17 -0.00 0.15 -0.85 0.00 0.00 174.74 171.99 1ugk s LYS 59 N 7.25 3.54 0.04 1.40 1.02 -1.26 -2.79 119.74 128.94 1ugk s LYS 59 Ca 0.72 -0.55 0.03 0.00 0.02 0.00 0.00 55.97 56.19 1ugk s LYS 59 Cb -0.12 -3.09 -0.02 0.00 -0.52 0.00 0.00 37.83 34.08 1ugk s LYS 59 CO 0.15 -0.09 -0.08 0.14 -0.92 0.00 0.00 175.35 174.55 1ugk s VAL 60 N 1.25 0.61 0.10 3.17 -7.23 -0.64 -5.02 120.40 112.64 1ugk s VAL 60 Ca 0.03 -1.01 0.05 0.00 -1.81 0.00 0.00 61.98 59.25 1ugk s VAL 60 Cb -0.15 -0.65 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 1ugk s VAL 60 CO 0.01 -0.30 -0.14 -1.59 -0.31 0.00 0.00 175.10 172.77 1ugk s LYS 61 N -1.43 0.94 0.03 4.82 -2.85 -1.26 0.17 119.74 120.15 1ugk s LYS 61 Ca -0.07 -1.13 -0.18 0.00 -1.00 0.00 0.00 55.97 53.59 1ugk s LYS 61 Cb -0.09 -0.85 -0.06 0.00 -2.06 0.00 0.00 37.83 34.76 1ugk s LYS 61 CO 0.01 0.17 0.52 0.95 0.10 0.00 0.00 175.35 177.09 1ugk s THR 62 N -1.84 4.88 0.01 3.79 -4.23 -0.31 -4.95 115.64 113.00 1ugk s THR 62 Ca 0.05 1.08 -0.36 0.00 -1.18 0.00 0.00 61.69 61.28 1ugk s THR 62 Cb -0.07 -3.84 -0.14 0.00 1.34 0.00 0.00 72.50 69.79 1ugk s THR 62 CO 0.02 0.53 1.61 -2.11 -0.54 0.00 0.00 174.62 174.13 1ugk n ARG 63 N 2.02 1.73 -2.35 3.99 -4.01 -1.26 -4.41 116.66 112.37 1ugk n ARG 63 Ca -0.11 0.63 -0.41 0.00 -1.04 0.00 0.00 57.85 56.92 1ugk n ARG 63 Cb 0.51 -2.37 -0.03 0.00 -3.04 0.00 0.00 32.46 27.53 1ugk n ARG 63 CO 0.00 0.00 0.00 0.14 -3.04 0.00 0.00 177.63 174.73 1ugk s VAL 64 N 1.95 3.54 0.70 8.89 -7.23 -1.26 -4.80 120.40 122.19 1ugk s VAL 64 Ca 0.87 1.28 -0.10 0.00 -1.81 0.00 0.00 61.98 62.21 1ugk s VAL 64 Cb -0.82 -3.82 0.02 0.00 0.56 0.00 0.00 36.38 32.33 1ugk s VAL 64 CO 0.48 0.19 1.07 -0.76 -0.31 0.00 0.00 175.10 175.78 1ugk s LEU 65 N -0.12 2.89 -0.18 1.32 2.01 -1.23 -5.00 118.68 118.37 1ugk s LEU 65 Ca 0.54 0.98 -0.04 0.00 0.01 0.00 0.00 54.13 55.62 1ugk s LEU 65 Cb -0.33 -3.73 -0.02 0.00 0.01 0.00 0.00 46.19 42.11 1ugk s LEU 65 CO 0.36 -1.39 -0.03 -0.13 1.01 0.00 0.00 176.35 176.17 1ugk s ARG 66 N -5.33 3.59 -0.24 1.70 1.81 -1.26 -4.21 118.95 115.01 1ugk s ARG 66 Ca 0.58 -0.55 -0.14 0.00 -1.72 0.00 0.00 55.73 53.90 1ugk s ARG 66 Cb -0.11 -2.96 0.02 0.00 -0.45 0.00 0.00 34.95 31.45 1ugk s ARG 66 CO 0.50 0.10 0.28 1.63 -0.68 0.00 0.00 175.30 177.14 1ugk n LYS 67 N 3.94 -1.55 -3.65 3.54 5.02 -1.23 -5.01 118.16 119.22 1ugk n LYS 67 Ca -0.17 1.45 -0.02 0.00 -2.02 0.00 0.00 58.31 57.55 1ugk n LYS 67 Cb 0.52 -2.55 -0.07 0.00 -0.02 0.00 0.00 35.03 32.91 1ugk n LYS 67 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1ugk s THR 68 N -1.43 0.00 -1.75 -0.18 -1.32 -0.72 -4.90 115.64 105.33 1ugk s THR 68 Ca 0.15 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.88 1ugk s THR 68 Cb -0.02 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.13 1ugk s THR 68 CO 0.49 0.00 1.41 0.18 -2.21 0.00 0.00 174.62 174.50 1ugk n LEU 69 N 2.36 1.24 -3.50 9.08 4.77 -1.26 -4.08 117.00 125.60 1ugk n LEU 69 Ca -0.14 -0.38 -0.29 0.00 -0.03 0.00 0.00 56.01 55.18 1ugk n LEU 69 Cb 0.57 -0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 41.44 1ugk n LEU 69 CO 0.03 0.24 -0.30 1.51 -1.33 0.00 0.00 177.39 177.53 1ugk s ASP 70 N -2.54 2.89 0.30 -1.43 -4.77 -1.26 -2.68 116.67 107.18 1ugk s ASP 70 Ca 0.21 -2.42 -0.28 0.00 -3.30 0.00 0.00 52.55 46.76 1ugk s ASP 70 Cb 0.19 -0.54 -0.09 0.00 -1.09 0.00 0.00 42.92 41.39 1ugk s ASP 70 CO 0.56 -0.28 1.07 -2.16 0.70 0.00 0.00 175.17 175.06 1ugk s PRO 71 N 0.75 4.57 -0.52 2.11 0.04 -1.20 -4.84 135.00 135.91 1ugk s PRO 71 Ca 0.20 1.72 0.04 0.00 0.04 0.00 0.00 61.00 63.00 1ugk s PRO 71 Cb -0.19 -3.08 0.14 0.00 0.04 0.00 0.00 34.50 31.41 1ugk s PRO 71 CO -0.02 0.18 0.28 0.00 0.04 0.00 0.00 177.00 177.47 1ugk s ALA 72 N -1.26 3.13 -0.00 8.56 0.00 -1.26 -1.12 121.76 129.80 1ugk s ALA 72 Ca 0.47 -3.20 -0.19 0.00 0.00 0.00 0.00 51.96 49.04 1ugk s ALA 72 Cb -0.30 -2.11 -0.32 0.00 0.00 0.00 0.00 23.12 20.40 1ugk s ALA 72 CO 0.38 -2.04 0.98 0.74 0.00 0.00 0.00 175.76 175.82 1ugk h PHE 73 N 6.42 0.77 -6.89 0.00 0.04 -1.77 -3.47 116.94 112.03 1ugk h PHE 73 Ca -0.04 -0.53 -0.58 0.00 2.80 0.00 0.00 57.97 59.62 1ugk h PHE 73 Cb 0.88 -0.04 -0.30 0.00 2.20 0.00 0.00 35.95 38.69 1ugk h PHE 73 CO 0.53 1.40 -0.86 -3.47 -0.60 0.00 0.00 178.31 175.32 1ugk n ASP 74 N -3.95 -0.78 -4.59 2.17 -0.08 0.15 -4.88 116.55 104.58 1ugk n ASP 74 Ca -0.15 -1.16 -0.25 0.00 -1.51 0.00 0.00 54.79 51.73 1ugk n ASP 74 Cb 0.93 -1.47 0.12 0.00 2.34 0.00 0.00 41.12 43.04 1ugk n ASP 74 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1ugk s GLU 75 N -6.85 1.51 -0.21 -0.67 0.41 -0.23 -4.80 118.70 107.86 1ugk s GLU 75 Ca 0.50 -0.99 -0.13 0.00 -0.41 0.00 0.00 54.97 53.94 1ugk s GLU 75 Cb -0.29 -2.25 0.06 0.00 -1.78 0.00 0.00 34.13 29.87 1ugk s GLU 75 CO 0.94 -1.60 0.52 0.99 -0.49 0.00 0.00 175.26 175.61 1ugk s THR 76 N -3.26 -0.01 -0.16 3.63 2.01 -1.26 -0.04 115.64 116.54 1ugk s THR 76 Ca 0.67 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.73 1ugk s THR 76 Cb -0.05 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.73 1ugk s THR 76 CO 0.46 0.02 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.88 1ugk s PHE 77 N 1.22 2.45 -0.09 4.92 0.08 -1.14 -4.97 117.98 120.45 1ugk s PHE 77 Ca -0.08 -1.43 -0.11 0.00 0.12 0.00 0.00 56.93 55.44 1ugk s PHE 77 Cb -0.06 -1.74 -0.05 0.00 -0.57 0.00 0.00 43.02 40.60 1ugk s PHE 77 CO -0.12 -0.74 0.25 0.99 -0.10 0.00 0.00 175.22 175.50 1ugk s THR 78 N 1.40 5.32 -0.13 0.64 2.01 -1.26 -2.29 115.64 121.33 1ugk s THR 78 Ca 0.05 0.46 -0.02 0.00 0.31 0.00 0.00 61.69 62.49 1ugk s THR 78 Cb -0.13 -3.53 0.04 0.00 0.01 0.00 0.00 72.50 68.89 1ugk s THR 78 CO -0.12 0.57 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.02 1ugk s PHE 79 N -0.81 0.98 0.56 4.92 0.08 -0.47 -4.97 117.98 118.28 1ugk s PHE 79 Ca 0.18 -0.56 -0.01 0.00 0.12 0.00 0.00 56.93 56.66 1ugk s PHE 79 Cb -0.14 -0.98 0.03 0.00 -0.57 0.00 0.00 43.02 41.37 1ugk s PHE 79 CO 0.07 -0.47 0.81 0.71 -0.10 0.00 0.00 175.22 176.23 1ugk s TYR 80 N 1.87 2.98 0.00 0.36 1.51 -1.26 -1.78 117.35 121.02 1ugk s TYR 80 Ca 0.03 0.17 0.00 0.00 -1.01 0.00 0.00 57.07 56.26 1ugk s TYR 80 Cb -0.14 -2.74 0.00 0.00 -0.11 0.00 0.00 41.96 38.97 1ugk s TYR 80 CO -0.07 -0.86 0.00 0.41 -1.11 0.00 0.00 175.55 173.93 1ugk n GLY 81 N -2.41 1.83 3.55 0.71 0.00 -1.26 -4.95 105.19 102.66 1ugk n GLY 81 Ca 0.06 -0.24 -0.51 0.00 0.00 0.00 0.00 46.02 45.33 1ugk n GLY 81 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ugk n ILE 82 N 0.00 0.31 -2.50 -0.61 5.41 -1.26 -4.89 119.36 115.82 1ugk n ILE 82 Ca 0.00 -0.20 -0.41 0.00 1.00 0.00 0.00 62.75 63.14 1ugk n ILE 82 Cb 0.00 -1.69 -0.04 0.00 -0.71 0.00 0.00 39.64 37.20 1ugk n ILE 82 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1ugk s PRO 83 N 5.30 4.63 0.25 0.38 0.04 -1.26 -4.57 135.00 139.77 1ugk s PRO 83 Ca 1.03 1.76 -0.07 0.00 0.04 0.00 0.00 61.00 63.77 1ugk s PRO 83 Cb -0.82 -3.23 0.45 0.00 0.04 0.00 0.00 34.50 30.94 1ugk s PRO 83 CO 0.52 0.17 1.62 -0.92 0.04 0.00 0.00 177.00 178.42 1ugk h TYR 84 N 4.34 -0.14 -0.28 0.56 3.20 -1.90 1.54 116.97 124.29 1ugk h TYR 84 Ca -0.46 0.06 0.08 0.00 3.14 0.00 0.00 58.73 61.56 1ugk h TYR 84 Cb 1.21 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 1ugk h TYR 84 CO 0.60 -0.29 0.32 1.79 -1.64 0.00 0.00 178.16 178.95 1ugk h THR 85 N 0.07 0.40 0.00 1.81 1.35 -2.01 1.10 112.91 115.63 1ugk h THR 85 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.29 1ugk h THR 85 Cb 0.75 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1ugk h THR 85 CO -0.73 0.00 0.00 1.67 -0.25 0.00 0.00 175.52 176.21 1ugk n GLN 86 N -3.72 0.24 0.29 4.72 -0.06 0.52 -3.68 117.38 115.69 1ugk n GLN 86 Ca 0.04 0.21 -0.15 0.00 -2.00 0.00 0.00 57.00 55.09 1ugk n GLN 86 Cb 0.47 -1.79 -0.08 0.00 -4.06 0.00 0.00 30.24 24.78 1ugk n GLN 86 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 1ugk h ILE 87 N 0.00 0.39 0.00 1.69 1.08 0.16 0.87 117.51 121.70 1ugk h ILE 87 Ca 0.00 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1ugk h ILE 87 Cb 0.72 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 1ugk h ILE 87 CO 0.00 0.04 0.28 1.56 -0.69 0.00 0.00 178.15 179.34 1ugk h GLN 88 N -0.92 0.00 0.00 2.37 4.20 -1.63 0.63 115.11 119.75 1ugk h GLN 88 Ca -0.07 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.41 1ugk h GLN 88 Cb 0.62 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 1ugk h GLN 88 CO 0.12 0.00 -2.05 0.39 -0.67 0.00 0.00 178.83 176.62 1ugk n GLU 89 N -2.69 0.66 0.00 1.46 -0.58 -0.79 -2.78 120.64 115.92 1ugk n GLU 89 Ca -0.02 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1ugk n GLU 89 Cb 0.32 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 1ugk n GLU 89 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ugk n LEU 90 N -2.65 0.00 0.00 -4.62 4.32 0.29 -4.33 117.00 110.02 1ugk n LEU 90 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 1ugk n LEU 90 Cb 0.92 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.72 1ugk n LEU 90 CO 0.44 -1.21 0.00 0.00 -1.22 0.00 0.00 177.39 175.40 1ugk n ALA 91 N -3.00 0.00 -2.84 -1.18 0.00 0.18 -3.83 120.51 109.84 1ugk n ALA 91 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1ugk n ALA 91 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1ugk n ALA 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ugk s LEU 92 N 0.00 4.40 -0.28 0.00 1.43 -0.88 0.22 118.68 123.57 1ugk s LEU 92 Ca 0.00 0.52 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1ugk s LEU 92 Cb 0.00 -2.15 0.08 0.00 0.03 0.00 0.00 46.19 44.14 1ugk s LEU 92 CO 0.00 0.39 -0.01 -2.28 0.23 0.00 0.00 176.35 174.68 1ugk s HIS 93 N -1.05 2.90 -0.29 0.29 2.46 -0.89 -0.81 115.29 117.91 1ugk s HIS 93 Ca 0.17 -2.26 -0.16 0.00 0.47 0.00 0.00 55.06 53.28 1ugk s HIS 93 Cb -0.13 -2.09 -0.03 0.00 -0.13 0.00 0.00 32.58 30.21 1ugk s HIS 93 CO 0.06 -0.86 0.43 -0.06 -2.47 0.00 0.00 174.74 171.83 1ugk s PHE 94 N 1.21 3.24 -0.22 3.88 0.08 0.39 -3.30 117.98 123.25 1ugk s PHE 94 Ca 0.01 0.40 -0.01 0.00 0.12 0.00 0.00 56.93 57.45 1ugk s PHE 94 Cb -0.19 -2.68 0.02 0.00 -0.57 0.00 0.00 43.02 39.60 1ugk s PHE 94 CO -0.09 -0.31 -0.09 0.99 -0.10 0.00 0.00 175.22 175.62 1ugk s THR 95 N 2.18 2.76 -0.67 0.64 2.01 -0.87 0.17 115.64 121.86 1ugk s THR 95 Ca 0.17 -0.89 -0.24 0.00 0.31 0.00 0.00 61.69 61.04 1ugk s THR 95 Cb -0.16 -2.32 0.06 0.00 0.01 0.00 0.00 72.50 70.09 1ugk s THR 95 CO 0.10 0.33 1.03 -0.63 -0.69 0.00 0.00 174.62 174.77 1ugk s ILE 96 N 1.35 4.19 0.08 1.82 1.09 -0.75 -1.38 121.20 127.59 1ugk s ILE 96 Ca 0.02 -0.17 -0.00 0.00 -1.10 0.00 0.00 60.65 59.40 1ugk s ILE 96 Cb -0.15 -4.73 0.02 0.00 -1.06 0.00 0.00 42.46 36.53 1ugk s ILE 96 CO -0.06 -1.54 0.11 0.18 -0.10 0.00 0.00 174.94 173.53 1ugk n LEU 97 N 8.08 0.00 -3.34 2.97 7.99 0.36 0.25 117.00 133.31 1ugk n LEU 97 Ca -0.02 -0.24 -0.13 0.00 -0.01 0.00 0.00 56.01 55.61 1ugk n LEU 97 Cb 0.46 -0.07 -0.07 0.00 -0.11 0.00 0.00 43.42 43.63 1ugk n LEU 97 CO 0.66 -0.56 -0.11 -0.55 -1.51 0.00 0.00 177.39 175.32 1ugk s SER 98 N -1.47 0.83 0.47 -1.43 0.15 -0.91 -3.14 113.70 108.21 1ugk s SER 98 Ca 0.08 -0.92 -0.04 0.00 0.70 0.00 0.00 55.95 55.77 1ugk s SER 98 Cb -0.00 0.84 -0.03 0.00 -1.71 0.00 0.00 66.02 65.11 1ugk s SER 98 CO 0.05 -0.32 0.76 0.12 1.20 0.00 0.00 173.24 175.05 1ugk s PHE 99 N 2.07 3.51 0.37 3.44 5.36 -0.40 -3.95 117.98 128.37 1ugk s PHE 99 Ca 0.13 0.71 -0.10 0.00 -0.96 0.00 0.00 56.93 56.70 1ugk s PHE 99 Cb -0.13 -2.29 0.03 0.00 -0.34 0.00 0.00 43.02 40.29 1ugk s PHE 99 CO -0.20 -0.28 0.67 -0.51 -1.46 0.00 0.00 175.22 173.43 1ugk s ASP 100 N -4.12 0.37 0.37 6.13 1.01 -1.26 -2.93 116.67 116.23 1ugk s ASP 100 Ca 0.47 -1.28 0.27 0.00 0.71 0.00 0.00 52.55 52.72 1ugk s ASP 100 Cb -0.10 0.78 0.95 0.00 1.01 0.00 0.00 42.92 45.56 1ugk s ASP 100 CO 0.43 -1.54 1.79 0.08 0.21 0.00 0.00 175.17 176.15 1ugk h ARG 101 N 2.04 0.00 -0.70 8.23 0.11 -1.98 -2.71 114.38 119.36 1ugk h ARG 101 Ca -0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1ugk h ARG 101 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1ugk h ARG 101 CO 0.40 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.66 1ugk n PHE 102 N -2.64 0.74 -3.05 4.08 3.72 -1.26 -4.96 117.46 114.09 1ugk n PHE 102 Ca 0.03 -0.27 -0.00 0.00 -0.05 0.00 0.00 57.45 57.15 1ugk n PHE 102 Cb 0.35 -0.20 -0.00 0.00 -0.94 0.00 0.00 39.48 38.68 1ugk n PHE 102 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1ugk n SER 103 N 0.28 -6.66 -4.10 4.37 3.41 -1.02 -5.02 113.62 104.88 1ugk n SER 103 Ca 0.11 0.75 -0.10 0.00 -0.26 0.00 0.00 58.87 59.36 1ugk n SER 103 Cb 0.54 -2.45 -0.08 0.00 -0.26 0.00 0.00 64.21 61.96 1ugk n SER 103 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ugk s ARG 104 N -0.90 1.25 -0.25 4.33 0.52 -1.26 -4.98 118.95 117.66 1ugk s ARG 104 Ca -0.02 -1.42 -0.02 0.00 -0.52 0.00 0.00 55.73 53.75 1ugk s ARG 104 Cb 0.00 0.34 0.13 0.00 0.52 0.00 0.00 34.95 35.94 1ugk s ARG 104 CO 0.19 -0.45 0.35 -0.51 0.02 0.00 0.00 175.30 174.90 1ugk s ASP 105 N -3.07 0.64 -0.21 0.23 1.11 -1.26 -4.45 116.67 109.66 1ugk s ASP 105 Ca 0.29 -0.09 -0.02 0.00 0.18 0.00 0.00 52.55 52.91 1ugk s ASP 105 Cb 0.04 0.92 0.06 0.00 1.07 0.00 0.00 42.92 45.01 1ugk s ASP 105 CO 0.08 -0.33 0.02 -1.81 1.18 0.00 0.00 175.17 174.32 1ugk s ASP 106 N 2.49 3.12 -0.64 0.27 1.11 -1.25 -4.96 116.67 116.80 1ugk s ASP 106 Ca 0.11 -0.92 -0.26 0.00 0.18 0.00 0.00 52.55 51.66 1ugk s ASP 106 Cb -0.15 -0.70 -0.06 0.00 1.07 0.00 0.00 42.92 43.08 1ugk s ASP 106 CO -0.20 -0.30 2.16 -0.63 1.18 0.00 0.00 175.17 177.38 1ugk s ILE 107 N 1.77 3.19 0.34 0.77 1.01 -1.26 -2.13 121.20 124.87 1ugk s ILE 107 Ca -0.01 0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.70 1ugk s ILE 107 Cb -0.17 -3.47 0.30 0.00 0.01 0.00 0.00 42.46 39.13 1ugk s ILE 107 CO -0.09 -0.45 1.90 0.40 0.00 0.00 0.00 174.94 176.71 1ugk h ILE 108 N 7.37 0.95 -2.72 2.92 2.04 0.31 -3.46 117.51 124.92 1ugk h ILE 108 Ca -0.16 -0.28 0.09 0.00 1.00 0.00 0.00 64.86 65.51 1ugk h ILE 108 Cb 1.15 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1ugk h ILE 108 CO 1.16 0.15 0.44 -0.83 0.00 0.00 0.00 178.15 179.08 1ugk s GLY 109 N -3.55 0.18 0.03 5.37 0.00 -0.79 -4.87 107.32 103.69 1ugk s GLY 109 Ca -0.10 -0.47 0.04 0.00 0.00 0.00 0.00 44.72 44.19 1ugk s GLY 109 CO 0.79 1.10 -0.12 -0.54 0.00 0.00 0.00 173.10 174.33 1ugk s GLU 110 N -2.36 0.79 -0.04 2.90 2.02 -1.19 -1.81 118.70 119.01 1ugk s GLU 110 Ca 0.18 -0.69 -0.06 0.00 0.02 0.00 0.00 54.97 54.42 1ugk s GLU 110 Cb -0.04 -0.75 0.01 0.00 0.10 0.00 0.00 34.13 33.46 1ugk s GLU 110 CO 0.08 0.18 0.15 0.08 0.02 0.00 0.00 175.26 175.77 1ugk s VAL 111 N -0.87 0.03 0.01 2.63 1.01 0.45 -4.16 120.40 119.50 1ugk s VAL 111 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1ugk s VAL 111 Cb -0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1ugk s VAL 111 CO 0.01 -0.13 0.01 -0.22 0.00 0.00 0.00 175.10 174.76 1ugk s LEU 112 N -0.43 2.06 -0.29 3.92 2.96 -1.26 0.15 118.68 125.78 1ugk s LEU 112 Ca -0.05 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1ugk s LEU 112 Cb -0.03 0.17 0.13 0.00 0.50 0.00 0.00 46.19 46.96 1ugk s LEU 112 CO 0.01 -0.23 0.26 -0.51 -1.32 0.00 0.00 176.35 174.55 1ugk s ILE 113 N -1.07 -0.32 -0.17 6.68 1.10 0.01 -4.97 121.20 122.47 1ugk s ILE 113 Ca -0.12 -0.58 -0.29 0.00 -0.51 0.00 0.00 60.65 59.15 1ugk s ILE 113 Cb -0.07 -0.98 -0.01 0.00 0.15 0.00 0.00 42.46 41.55 1ugk s ILE 113 CO -0.00 -0.54 1.28 -2.16 -2.11 0.00 0.00 174.94 171.41 1ugk s PRO 114 N 2.26 4.21 0.00 3.50 0.04 -1.26 -2.06 135.00 141.69 1ugk s PRO 114 Ca 0.10 1.66 0.09 0.00 0.04 0.00 0.00 61.00 62.89 1ugk s PRO 114 Cb -0.14 -3.78 0.41 0.00 0.04 0.00 0.00 34.50 31.02 1ugk s PRO 114 CO -0.33 -0.74 1.27 1.28 0.04 0.00 0.00 177.00 178.52 1ugk n LEU 115 N 6.70 0.00 -4.57 -3.56 4.77 -1.25 -4.59 117.00 114.50 1ugk n LEU 115 Ca 0.14 0.46 -0.39 0.00 -0.03 0.00 0.00 56.01 56.19 1ugk n LEU 115 Cb 0.45 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1ugk n LEU 115 CO 0.56 -0.31 1.95 -0.55 -1.33 0.00 0.00 177.39 177.71 1ugk s SER 116 N -2.91 4.86 0.00 -1.43 0.15 -1.12 -1.13 113.70 112.13 1ugk s SER 116 Ca 0.05 1.41 0.00 0.00 0.70 0.00 0.00 55.95 58.11 1ugk s SER 116 Cb 0.06 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1ugk s SER 116 CO 0.16 -2.50 0.00 0.61 1.20 0.00 0.00 173.24 172.71 1ugk n GLY 117 N 5.90 3.10 3.70 9.45 0.00 -1.26 -5.06 105.19 121.01 1ugk n GLY 117 Ca 0.34 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 1ugk n GLY 117 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ugk n ILE 118 N 0.00 4.54 -4.67 -0.61 2.08 -0.28 -5.01 119.36 115.41 1ugk n ILE 118 Ca 0.00 -0.50 -0.28 0.00 0.56 0.00 0.00 62.75 62.53 1ugk n ILE 118 Cb 0.00 -1.41 -0.17 0.00 -0.75 0.00 0.00 39.64 37.31 1ugk n ILE 118 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1ugk s GLU 119 N -3.16 2.17 0.00 0.38 0.41 -1.26 -4.91 118.70 112.33 1ugk s GLU 119 Ca 0.80 -0.56 0.09 0.00 -0.41 0.00 0.00 54.97 54.89 1ugk s GLU 119 Cb -0.39 -1.77 0.17 0.00 -1.78 0.00 0.00 34.13 30.36 1ugk s GLU 119 CO 0.43 0.02 1.02 1.28 -0.49 0.00 0.00 175.26 177.52 1ugk n LEU 120 N 3.90 2.30 -0.09 1.80 4.77 -1.26 -4.61 117.00 123.81 1ugk n LEU 120 Ca -0.21 -1.54 -0.07 0.00 -0.03 0.00 0.00 56.01 54.17 1ugk n LEU 120 Cb 0.52 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.51 1ugk n LEU 120 CO 0.25 0.53 0.89 -1.28 -1.33 0.00 0.00 177.39 176.46 1ugk h SER 121 N 1.73 0.00 0.18 -1.43 0.87 -1.97 -2.68 113.55 110.25 1ugk h SER 121 Ca 0.00 0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1ugk h SER 121 Cb 0.55 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.54 1ugk h SER 121 CO 0.00 0.04 -0.36 -0.33 -0.53 0.00 0.00 176.83 175.65 1ugk h GLU 122 N 0.17 -0.60 0.00 2.24 5.08 -2.02 -3.49 114.58 115.96 1ugk h GLU 122 Ca 0.15 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1ugk h GLU 122 Cb 0.17 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1ugk h GLU 122 CO -0.20 -0.40 0.00 0.41 -1.00 0.00 0.00 179.01 177.82 1ugk n GLY 123 N -1.44 -0.67 3.74 -3.84 0.00 -1.01 -5.12 105.19 96.85 1ugk n GLY 123 Ca -0.07 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 1ugk n GLY 123 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ugk s LYS 124 N -1.31 4.47 0.02 1.61 2.20 -1.26 -4.65 119.74 120.82 1ugk s LYS 124 Ca 0.00 1.01 0.07 0.00 -0.36 0.00 0.00 55.97 56.69 1ugk s LYS 124 Cb 0.00 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 32.93 1ugk s LYS 124 CO 0.00 0.26 -0.20 0.00 -0.36 0.00 0.00 175.35 175.04 1ugk s MET 125 N 0.07 1.49 -0.02 4.03 0.23 -0.87 -4.97 119.30 119.26 1ugk s MET 125 Ca 0.38 -0.84 -0.16 0.00 -1.03 0.00 0.00 55.69 54.04 1ugk s MET 125 Cb -0.20 -1.53 -0.05 0.00 -1.53 0.00 0.00 34.83 31.52 1ugk s MET 125 CO 0.22 0.40 0.44 -1.17 -2.03 0.00 0.00 175.02 172.88 1ugk s LEU 126 N -0.86 4.43 0.01 0.18 1.98 -1.26 -1.72 118.68 121.44 1ugk s LEU 126 Ca 0.07 0.96 -0.04 0.00 -2.89 0.00 0.00 54.13 52.23 1ugk s LEU 126 Cb -0.08 -2.65 -0.01 0.00 0.66 0.00 0.00 46.19 44.11 1ugk s LEU 126 CO 0.01 0.24 0.06 -0.04 -1.89 0.00 0.00 176.35 174.73 1ugk s MET 127 N -0.65 0.40 0.02 1.98 -1.94 0.19 -4.98 119.30 114.31 1ugk s MET 127 Ca 0.25 -0.50 0.02 0.00 -1.71 0.00 0.00 55.69 53.75 1ugk s MET 127 Cb -0.17 0.16 -0.01 0.00 2.01 0.00 0.00 34.83 36.82 1ugk s MET 127 CO 0.13 -0.09 -0.08 0.54 -0.01 0.00 0.00 175.02 175.52 1ugk s ASN 128 N -1.42 0.89 0.04 3.03 4.22 -1.26 -0.65 114.94 119.79 1ugk s ASN 128 Ca -0.15 -0.29 0.04 0.00 -2.14 0.00 0.00 52.86 50.32 1ugk s ASN 128 Cb -0.09 -0.05 -0.02 0.00 1.28 0.00 0.00 41.25 42.37 1ugk s ASN 128 CO 0.00 -0.01 -0.12 -0.13 -2.04 0.00 0.00 177.10 174.80 1ugk s ARG 129 N -0.71 0.77 0.08 3.55 1.81 0.40 -4.95 118.95 119.90 1ugk s ARG 129 Ca -0.01 -0.73 -0.19 0.00 -1.72 0.00 0.00 55.73 53.08 1ugk s ARG 129 Cb -0.05 -0.72 -0.07 0.00 -0.45 0.00 0.00 34.95 33.66 1ugk s ARG 129 CO 0.00 0.17 0.56 -1.83 -0.68 0.00 0.00 175.30 173.52 1ugk s GLU 130 N -1.22 4.16 -0.24 3.54 -1.05 -1.26 0.34 118.70 122.97 1ugk s GLU 130 Ca -0.02 0.70 -0.14 0.00 -0.15 0.00 0.00 54.97 55.36 1ugk s GLU 130 Cb -0.08 -3.20 -0.04 0.00 -0.44 0.00 0.00 34.13 30.37 1ugk s GLU 130 CO 0.01 0.62 0.32 0.42 0.95 0.00 0.00 175.26 177.58 1ugk s ILE 131 N -1.16 5.24 0.09 1.83 1.01 0.45 -4.86 121.20 123.80 1ugk s ILE 131 Ca 0.30 0.49 0.02 0.00 0.00 0.00 0.00 60.65 61.46 1ugk s ILE 131 Cb -0.19 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1ugk s ILE 131 CO 0.19 0.24 0.06 2.30 0.00 0.00 0.00 174.94 177.73 1ugk n ILE 132 N 4.64 0.00 -1.91 2.92 -6.64 -1.26 -2.01 119.36 115.10 1ugk n ILE 132 Ca -0.10 -0.60 -0.41 0.00 -1.77 0.00 0.00 62.75 59.87 1ugk n ILE 132 Cb 0.51 0.27 -0.01 0.00 -1.44 0.00 0.00 39.64 38.98 1ugk n ILE 132 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 1ugk n SER 133 N -2.42 6.63 0.00 7.28 2.88 -1.26 -3.13 113.62 123.60 1ugk n SER 133 Ca 0.01 -2.96 0.00 0.00 -1.33 0.00 0.00 58.87 54.58 1ugk n SER 133 Cb 0.15 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.12 1ugk n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugk n GLY 134 N 2.82 0.48 0.11 0.46 0.00 -1.26 -4.93 105.19 102.87 1ugk n GLY 134 Ca 0.57 -1.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.17 1ugk n GLY 134 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugk h PRO 135 N 0.00 -0.20 0.00 1.61 0.13 -1.88 -3.36 132.00 128.29 1ugk h PRO 135 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1ugk h PRO 135 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1ugk h PRO 135 CO 0.00 -0.14 0.00 -1.13 -0.23 0.00 0.00 178.00 176.50 1ugk n SER 136 N -3.83 -0.43 -2.51 1.44 3.41 -1.26 -4.79 113.62 105.64 1ugk n SER 136 Ca -0.03 0.45 -0.04 0.00 -0.26 0.00 0.00 58.87 59.00 1ugk n SER 136 Cb 0.08 0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 64.60 1ugk n SER 136 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ugk n SER 137 N -3.33 -3.15 0.00 4.04 7.64 -1.26 -4.79 113.62 112.77 1ugk n SER 137 Ca 0.00 1.51 0.00 0.00 1.01 0.00 0.00 58.87 61.39 1ugk n SER 137 Cb 0.00 -5.26 0.00 0.00 -1.01 0.00 0.00 64.21 57.94 1ugk n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64